6-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfonyl]cyclohexene-1-carboxylate

Systemtic Name: 6-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfonyl]cyclohexene-1-carboxylate Openeye Name: 6-[(2-chloro-4-fluoro-phenyl)methylsulfonyl]cyclohexene-1-carboxylate CAS Name: 6-[(2-chloro-4-fluorophenyl)methylsulfonyl]-1-cyclohexenecarboxylate IUPAC Name: 6-[(2-chloro-4-fluorophenyl)methylsulfonyl]cyclohexene-1-carboxylate Traditional Name: 6-(2-chloro-4-fluoro-benzyl)sulfonylcyclohexene-1-carboxylate Formula: C14H13ClFO4S- MolecularWeight: 331.767023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C(C1)S(=O)(=O)CC2=C(C=C(C=C2)F)Cl)C(=O)[O-]

Isomeric SMILES

C1CC=C(C(C1)S(=O)(=O)CC2=C(C=C(C=C2)F)Cl)C(=O)[O-]

InChI

InChI=1S/C14H14ClFO4S/c15-12-7-10(16)6-5-9(12)8-21(19,20)13-4-2-1-3-11(13)14(17)18/h3,5-7,13H,1-2,4,8H2,(H,17,18)/p-1